3-[(2-oxopiperidin-3-yl)amino]-1H-pyrazin-2-one

C9H12N4O2 — CID 114568646

IUPAC3-[(2-oxopiperidin-3-yl)amino]-1H-pyrazin-2-one
SMILESO=C1NCCCC1Nc1ncc[nH]c1=O
InChIInChI=1S/C9H12N4O2/c14-8-6(2-1-3-11-8)13-7-9(15)12-5-4-10-7/h4-6H,1-3H2,(H,10,13)(H,11,14)(H,12,15)
InChIKeyVPGMTTBBGYQFQF-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.54
Rot. Bonds2

About 3-[(2-oxopiperidin-3-yl)amino]-1H-pyrazin-2-one

3-[(2-oxopiperidin-3-yl)amino]-1H-pyrazin-2-one (PubChem CID 114568646) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-[(2-oxopiperidin-3-yl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(2-oxopiperidin-3-yl)amino]-1H-pyrazin-2-one
PubChem CID114568646
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name3-[(2-oxopiperidin-3-yl)amino]-1H-pyrazin-2-one
SMILESO=C1NCCCC1Nc1ncc[nH]c1=O
InChIInChI=1S/C9H12N4O2/c14-8-6(2-1-3-11-8)13-7-9(15)12-5-4-10-7/h4-6H,1-3H2,(H,10,13)(H,11,14)(H,12,15)
InChIKeyVPGMTTBBGYQFQF-UHFFFAOYSA-N
XLogP-0.54
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Aminopiperidin-1-yl)-1-ethyl-1,2-dihydropyrazin-2-one
CID 62939070
3-(3-Aminopiperidin-1-yl)-1-methyl-1,2-dihydropyrazin-2-one
CID 62939235
3-(3-Aminopiperidin-1-yl)-1,2-dihydropyrazin-2-one dihydrochloride
CID 86811806
(3S)-1-(4-cyclopropyl-3-oxopyrazin-2-yl)-N-ethylpiperidine-3-carboxamide
CID 97259562
3-(3-aminopiperidin-1-yl)pyrazin-2(1H)-one
CID 86811807
3-[4-(4,4-Difluoropyrrolidine-2-carbonyl)piperazin-1-yl]-1-methylpyrazin-2-one
CID 120352542
3-(piperidin-4-ylamino)-1H-pyrazin-2-one
CID 59830267
3-[(1-Ethylpiperidin-4-yl)amino]-1-methylpyrazin-2-one
CID 55130789
3-[4-(Ethylamino)piperidin-1-yl]-1-methylpyrazin-2-one
CID 55131171
3-[2-(Methylaminomethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one
CID 55139442
1-Cyclopropyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one
CID 55155080
1-Tert-butyl-3-[(2-oxopiperidin-3-yl)amino]pyrazin-2-one
CID 55155270

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxopiperidin-3-yl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[(2-oxopiperidin-3-yl)amino]-1H-pyrazin-2-one (CID 114568646) is 3-[(2-oxopiperidin-3-yl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(2-oxopiperidin-3-yl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(2-oxopiperidin-3-yl)amino]-1H-pyrazin-2-one is O=C1NCCCC1Nc1ncc[nH]c1=O.
What is the InChIKey of 3-[(2-oxopiperidin-3-yl)amino]-1H-pyrazin-2-one?
The InChIKey is VPGMTTBBGYQFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c14-8-6(2-1-3-11-8)13-7-9(15)12-5-4-10-7/h4-6H,1-3H2,(H,10,13)(H,11,14)(H,12,15).
What are the key properties of 3-[(2-oxopiperidin-3-yl)amino]-1H-pyrazin-2-one?
3-[(2-oxopiperidin-3-yl)amino]-1H-pyrazin-2-one has a molecular weight of 208.22 g/mol, XLogP of -0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxopiperidin-3-yl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 114568646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).